1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C17H22FN3 — CID 115996768

IUPAC1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN(C)Cc1ccccn1)C(N)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-13(17(19)15-8-3-4-9-16(15)18)11-21(2)12-14-7-5-6-10-20-14/h3-10,13,17H,11-12,19H2,1-2H3
InChIKeyWXCVLAAWTDQMBY-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.99
Rot. Bonds6

About 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 115996768) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID115996768
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN(C)Cc1ccccn1)C(N)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-13(17(19)15-8-3-4-9-16(15)18)11-21(2)12-14-7-5-6-10-20-14/h3-10,13,17H,11-12,19H2,1-2H3
InChIKeyWXCVLAAWTDQMBY-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-chloro-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 112561273
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 115996768) is 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is CC(CN(C)Cc1ccccn1)C(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WXCVLAAWTDQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(17(19)15-8-3-4-9-16(15)18)11-21(2)12-14-7-5-6-10-20-14/h3-10,13,17H,11-12,19H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 287.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 115996768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).